Chemical ID: 7343850

Cc1c2cc(ccc2oc1c3cc(=O)oc4c3cc5c(c4)CCC5)F
Chemical ID:
7343850
Name [?]:
None
SMILES [?]:
Cc1c2cc(ccc2oc1c3cc(=O)oc4c3cc5c(c4)CCC5)F
InChi [?]:
InChI=1/C21H15FO3/c1-11-15-9-14(22)5-6-18(15)25-21(11)17-10-20(23)24-19-8-13-4-2-3-12(13)7-16(17)19/h5-10H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,22,6,7,18,21,4,12,2,19,20,5,3,17,11,8,16,13,10,25,14,15,9/rA:25nCCCCCCCCOCCCCOOCCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s12;d13;s13;s15;s11s16;d17;s18;d19;d16s20;s20;s22;s19s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15FO3
All Atoms:40
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.04187
Area:503.74
Solvation:-3.55165
Coulombic:-30.0808
Bond Count [?]
All:29
Single:20
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:334.34
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.89
LogP (Chemaxon):5.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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